2-(2,4,6-trimethylphenyl)propane-1,3-diol

C12H18O2 — CID 82112091

IUPAC2-(2,4,6-trimethylphenyl)propane-1,3-diol
SMILESCc1cc(C)c(C(CO)CO)c(C)c1
InChIInChI=1S/C12H18O2/c1-8-4-9(2)12(10(3)5-8)11(6-13)7-14/h4-5,11,13-14H,6-7H2,1-3H3
InChIKeyOVUHBPIRXMEMPW-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.68
Rot. Bonds3

About 2-(2,4,6-trimethylphenyl)propane-1,3-diol

2-(2,4,6-trimethylphenyl)propane-1,3-diol (PubChem CID 82112091) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)propane-1,3-diol
PubChem CID82112091
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(2,4,6-trimethylphenyl)propane-1,3-diol
SMILESCc1cc(C)c(C(CO)CO)c(C)c1
InChIInChI=1S/C12H18O2/c1-8-4-9(2)12(10(3)5-8)11(6-13)7-14/h4-5,11,13-14H,6-7H2,1-3H3
InChIKeyOVUHBPIRXMEMPW-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2,4,6-trimethylphenyl)pentan-1-ol
CID 82079911
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
CID 116964129
2-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 130129687
3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
CID 82291424
2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
CID 82141452
bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
CID 70632558
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
CID 43207150
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)propane-1,3-diol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)propane-1,3-diol (CID 82112091) is 2-(2,4,6-trimethylphenyl)propane-1,3-diol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)propane-1,3-diol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)propane-1,3-diol is Cc1cc(C)c(C(CO)CO)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)propane-1,3-diol?
The InChIKey is OVUHBPIRXMEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8-4-9(2)12(10(3)5-8)11(6-13)7-14/h4-5,11,13-14H,6-7H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)propane-1,3-diol?
2-(2,4,6-trimethylphenyl)propane-1,3-diol has a molecular weight of 194.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)propane-1,3-diol is sourced from PubChem (CID 82112091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).